| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2013 | 14 | Yes |
Popular Name: 1-NAPHTHOYLACETONITRILE 1-NAPHTHOYLACETONITRILE
Find On: PubMed — Wikipedia — Google
CAS Number: 39528-57-9
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.17 | 2.29 | -35.06 | 4 | 2 | 1 | 48 | 190.266 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.17 | 2 | -3.37 | 3 | 2 | 0 | 46 | 189.258 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.